Common Molecular Dynamics Algorithms Revisited: Accuracy and Optimal Time Steps of Störmer–Leapfrog Integrators
The Störmer–Verlet–leapfrog group of integrators commonly used in molecular dynamics simulations has long become a textbook subject and seems to have been studied exhaustively. There are, however, a few striking effects in performance of algorithms which are well known but have not received adequate...
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| Published in: | Journal of computational physics Vol. 136; no. 2; pp. 354 - 365 |
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| Main Author: | |
| Format: | Journal Article |
| Language: | English |
| Published: |
Elsevier Inc
15.09.1997
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| ISSN: | 0021-9991, 1090-2716 |
| Online Access: | Get full text |
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